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3PRG
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BU of 3prg by Molmil
LIGAND BINDING DOMAIN OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
分子名称: PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA
著者Uppenberg, J, Svensson, C, Jaki, M, Bertilsson, G, Jendeberg, L, Berkenstam, A.
登録日1998-08-24
公開日1999-08-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the ligand binding domain of the human nuclear receptor PPARgamma.
J.Biol.Chem., 273, 1998
6KZ6
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BU of 6kz6 by Molmil
Crystal structure of ASFV dUTPase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R, MAGNESIUM ION
著者Guo, Y, Chen, C, Li, G.B, Cao, L, Wang, C.W.
登録日2019-09-23
公開日2019-11-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Structural Insight into African Swine Fever Virus dUTPase Reveals a Novel Folding Pattern in the dUTPase Family.
J.Virol., 94, 2020
5I8G
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BU of 5i8g by Molmil
CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
4Y5F
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BU of 4y5f by Molmil
PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, high dose
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Li, F, Burgie, E.S, Yu, T, Heroux, A, Schatz, G.C, Vierstra, R.D, Orville, A.M.
登録日2015-02-11
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray radiation induces deprotonation of the bilin chromophore in crystalline D. radiodurans phytochrome.
J.Am.Chem.Soc., 137, 2015
4YE6
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BU of 4ye6 by Molmil
The crystal structure of the intact human GlnRS
分子名称: Glutamine--tRNA ligase
著者Ognjenovic, J, Wu, J, Ling, J, Simonovic, M.
登録日2015-02-23
公開日2016-02-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of human GlnRS provides basis for the development of neurological disorders.
Nucleic Acids Res., 44, 2016
4YFP
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BU of 4yfp by Molmil
CRYSTAL STRUCTURE OF THE R111K:Y134F:T54V:R132Q:P39Y:R59Y MUTANT OF HUMAN CELLULAR RETINOIC ACID BINDING PROTEIN II WITH RETINAL AFTER 20 MINUTES INCUBATION AT 1.95 ANGSTROM RESOLUTION-Kinetic Product
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.H.
登録日2015-02-25
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
5IPE
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BU of 5ipe by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex
分子名称: 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-03-09
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
4YE9
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BU of 4ye9 by Molmil
The crystal structure of the G45V mutant of human GlnRS
分子名称: Glutamine--tRNA ligase
著者Ognjenovic, J, Wu, J, Ling, J, Simonovic, M.
登録日2015-02-23
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of human GlnRS provides basis for the development of neurological disorders.
Nucleic Acids Res., 44, 2016
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2019-06-06
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
2XUP
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BU of 2xup by Molmil
CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 SYN inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
著者Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
登録日2010-10-19
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUH
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BU of 2xuh by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (10 MTH)
分子名称: 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE
著者Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
登録日2010-10-19
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
6PAF
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BU of 6paf by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: GLYCEROL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-11
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.241 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
2XUO
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BU of 2xuo by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A mutant in complex with soaked TZ2PA6 ANTI inhibitor
分子名称: 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
著者Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
登録日2010-10-19
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUD
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BU of 2xud by Molmil
Crystal structure of the Y337A mutant of mouse acetylcholinesterase
分子名称: ACETATE ION, ACETYLCHOLINESTERASE, DECAMETHONIUM ION, ...
著者Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
登録日2010-10-19
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
7RDX
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BU of 7rdx by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-11-24
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
2XC6
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BU of 2xc6 by Molmil
Crystal structure of the GNA 3'-CTC(Br)UAGAG-2'
分子名称: GNA, SODIUM ION
著者Schlegel, M.K, Essen, L.-O, Meggers, E.
登録日2010-04-16
公開日2011-05-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献On the Structure and Dynamics of Duplex Gna.
J.Org.Chem., 76, 2011
7RDZ
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BU of 7rdz by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class
分子名称: ADENOSINE-5'-DIPHOSPHATE, Helicase, MAGNESIUM ION, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-11-24
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
5XY9
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BU of 5xy9 by Molmil
Structure of the MST4 and 14-3-3 complex
分子名称: 14-3-3 protein zeta/delta, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, GLYCEROL, ...
著者Shi, Z.B, Zhou, Z.C.
登録日2017-07-06
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Structure of the MST4 and 14-3-3 complex
To Be Published
4YGG
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BU of 4ygg by Molmil
CRYSTAL STRUCTURE OF R111K:Y134F:T54V:R132Q:P39Y:R59Y MUTANT OF HUMAN CELLULAR RETINOIC ACID BINDING PROTEIN II WITH RETINAL AT 1.9 ANGSTROM RESOLUTION - VISIBLE LIGHT IRRADIATED CRYSTAL - 2ND CYCLE
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.H.
登録日2015-02-26
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
2RD2
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BU of 2rd2 by Molmil
Glutaminyl-tRNA synthetase mutant C229R with bound analog 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE
分子名称: 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE, Glutamine tRNA, Glutaminyl-tRNA synthetase, ...
著者Bullock, T.L, Perona, J.J.
登録日2007-09-20
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A rationally engineered misacylating aminoacyl-tRNA synthetase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4YPG
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BU of 4ypg by Molmil
Structural Insights Into the Neutralization Properties of a Human Anti-Interferon Monoclonal Antibody
分子名称: Interferon alpha-2, NICKEL (II) ION, Sifalimumab heavy chain, ...
著者Oganesyan, V, Dall'Acqua, W.F.
登録日2015-03-12
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights into the Neutralization Properties of the Fully Human, Anti-interferon Monoclonal Antibody Sifalimumab.
J.Biol.Chem., 290, 2015
2REN
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BU of 2ren by Molmil
STRUCTURE OF RECOMBINANT HUMAN RENIN, A TARGET FOR CARDIOVASCULAR-ACTIVE DRUGS, AT 2.5 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN
著者Sielecki, A.R, James, M.N.G.
登録日1992-02-05
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of recombinant human renin, a target for cardiovascular-active drugs, at 2.5 A resolution.
Science, 243, 1989
5JA5
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Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A and L130A mutant in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, The rice D53 peptide (a.a. 794-808), ZINC ION
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-12
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
3OAP
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Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9-cis retinoic acid and the coactivator peptide GRIP-1
分子名称: (9cis)-retinoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Smith, C.D, Muccio, D.D.
登録日2010-08-05
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure, Energetics and Dynamics of Binding Coactivator Peptide to Human Retinoid X Receptor Alpha Ligand Binding Domain Complex with 9-cis-Retinoic Acid.
Biochemistry, 50, 2011
4YE8
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The crystal structure of the Y57H mutant of human GlnRS
分子名称: Glutamine--tRNA ligase
著者Ognjenovic, J, Wu, J, Ling, J, Simonovic, M.
登録日2015-02-23
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The crystal structure of human GlnRS provides basis for the development of neurological disorders.
Nucleic Acids Res., 44, 2016

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